2DSR
| Structural Basis for the Inhibition of Insulin-like Growth Factors by IGF Binding Proteins | Descriptor: | Insulin-like growth factor IB, Insulin-like growth factor-binding protein 4 | Authors: | Sitar, T, Popowicz, G.M, Siwanowicz, I, Huber, R, Holak, T.A. | Deposit date: | 2006-07-05 | Release date: | 2006-08-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the inhibition of insulin-like growth factors by insulin-like growth factor-binding proteins. Proc.Natl.Acad.Sci.Usa, 103, 2006
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6O47
| human cGAS core domain (K427E/K428E) bound with RU-521 | Descriptor: | (3~{S})-3-[1-[4,5-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{H}-2-benzofuran-1-one, 2-(4,5-dichloro-1H-benzimidazol-2-yl)-5-methyl-4-[(1R)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3H-pyrazol-3-one, CITRIC ACID, ... | Authors: | Xie, W, Lama, L, Adura, C, Glickman, J.F, Tuschl, T, Patel, D.J. | Deposit date: | 2019-02-28 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Human cGAS catalytic domain has an additional DNA-binding interface that enhances enzymatic activity and liquid-phase condensation. Proc.Natl.Acad.Sci.USA, 116, 2019
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1RMJ
| C-terminal domain of insulin-like growth factor (IGF) binding protein-6: structure and interaction with IGF-II | Descriptor: | Insulin-like growth factor binding protein 6 | Authors: | Headey, S.J, Keizer, D.W, Yao, S, Brasier, G, Kantharidis, P, Bach, L.A, Norton, R.S. | Deposit date: | 2003-11-28 | Release date: | 2004-09-14 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | C-terminal domain of insulin-like growth factor (IGF) binding protein-6: structure and interaction with IGF-II. Mol.Endocrinol., 18, 2004
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8CVM
| Cutibacterium acnes 50S ribosomal subunit with P-site tRNA and Sarecycline bound in the local refined map | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Lomakin, I.B, Devarkar, S.C, Bunick, C.G. | Deposit date: | 2022-05-18 | Release date: | 2023-03-15 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Sarecycline inhibits protein translation in Cutibacterium acnes 70S ribosome using a two-site mechanism. Nucleic Acids Res., 51, 2023
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8CRX
| Cutibacterium acnes 70S ribosome with mRNA, P-site tRNA and Sarecycline bound | Descriptor: | 23S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Lomakin, I.B, Devarkar, S.C, Bunick, C.G. | Deposit date: | 2022-05-12 | Release date: | 2023-03-22 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Sarecycline inhibits protein translation in Cutibacterium acnes 70S ribosome using a two-site mechanism. Nucleic Acids Res., 51, 2023
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6EDC
| hcGAS-16bp dsDNA complex | Descriptor: | Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*T)-3'), ... | Authors: | Xie, W, Lama, L, Adura, C, Glickman, J.F, Tuschl, T, Patel, D.J. | Deposit date: | 2018-08-09 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.712 Å) | Cite: | Human cGAS catalytic domain has an additional DNA-binding interface that enhances enzymatic activity and liquid-phase condensation. Proc.Natl.Acad.Sci.USA, 116, 2019
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6EDB
| Crystal structure of SRY.hcGAS-21bp dsDNA complex | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*CP*CP*GP*GP*GP*AP*TP*CP*TP*AP*AP*AP*CP*AP*AP*TP*G)-3'), DNA (5'-D(*GP*CP*AP*TP*TP*GP*TP*TP*TP*AP*GP*AP*TP*CP*CP*CP*GP*GP*AP*TP*C)-3'), Sex-determining region Y protein,Cyclic GMP-AMP synthase, ... | Authors: | Xie, W, Lama, L, Adura, C, Glickman, J.F, Tuschl, T, Patel, D.J. | Deposit date: | 2018-08-09 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.209 Å) | Cite: | Human cGAS catalytic domain has an additional DNA-binding interface that enhances enzymatic activity and liquid-phase condensation. Proc.Natl.Acad.Sci.USA, 116, 2019
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8OL1
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8OKX
| Structure of cGAS in complex with SPSB3-ELOBC | Descriptor: | Cyclic GMP-AMP synthase, Elongin-B, Elongin-C, ... | Authors: | Xu, P.B, Ablasser, A. | Deposit date: | 2023-03-29 | Release date: | 2024-02-14 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.51 Å) | Cite: | The CRL5-SPSB3 ubiquitin ligase targets nuclear cGAS for degradation. Nature, 627, 2024
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5V8O
| Discovery of a high affinity inhibitor of cGAS | Descriptor: | 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Hall, J. | Deposit date: | 2017-03-22 | Release date: | 2017-09-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay. PLoS ONE, 12, 2017
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4MKP
| Crystal structure of human cGAS apo form | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION | Authors: | Kato, K, Ishii, R, Ishitani, R, Nureki, O. | Deposit date: | 2013-09-05 | Release date: | 2013-10-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Structural and Functional Analyses of DNA-Sensing and Immune Activation by Human cGAS Plos One, 8, 2013
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4LEV
| Structure of human cGAS | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION | Authors: | Li, P. | Deposit date: | 2013-06-26 | Release date: | 2013-12-25 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Cyclic GMP-AMP Synthase Is Activated by Double-Stranded DNA-Induced Oligomerization. Immunity, 39, 2013
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4NJS
| Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL008 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2013-11-11 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
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4LEW
| Structure of human cGAS | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION | Authors: | Li, P. | Deposit date: | 2013-06-26 | Release date: | 2013-12-25 | Last modified: | 2014-01-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Cyclic GMP-AMP Synthase Is Activated by Double-Stranded DNA-Induced Oligomerization. Immunity, 39, 2013
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4NJT
| Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | Authors: | Yedidi, R.S, Garimella, H, Chang, S.B, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2013-11-11 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
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4NJU
| Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with tipranavir | Descriptor: | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, Protease | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Mitsuya, H. | Deposit date: | 2013-11-11 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
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4NJV
| Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with ritonavir | Descriptor: | Protease, RITONAVIR | Authors: | Yedidi, R.S, Garimella, H, Chang, S.B, Kaufman, J.D, Das, D, Wingfield, P.T, Mitsuya, H. | Deposit date: | 2013-11-11 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
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4O68
| Structure of human cyclic GMP-AMP synthase (cGAS) | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | Deposit date: | 2013-12-20 | Release date: | 2014-02-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.436 Å) | Cite: | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop. Cell Rep, 6, 2014
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4O67
| Human cyclic GMP-AMP synthase (cGAS) in complex with GAMP | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | Authors: | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | Deposit date: | 2013-12-20 | Release date: | 2014-02-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.444 Å) | Cite: | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop. Cell Rep, 6, 2014
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4O69
| Human cyclic GMP-AMP synthase (cGAS) in complex with sulfate ion | Descriptor: | Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION | Authors: | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | Deposit date: | 2013-12-20 | Release date: | 2014-02-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop. Cell Rep, 6, 2014
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7C0M
| Human cGAS-nucleosome complex | Descriptor: | Cyclic GMP-AMP synthase, DNA (145-MER), Histone H2A type 1-B/E, ... | Authors: | Kujirai, T, Zierhut, C, Takizawa, Y, Kim, R, Negishi, L, Uruma, N, Hirai, S, Funabiki, H, Kurumizaka, H. | Deposit date: | 2020-05-01 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for the inhibition of cGAS by nucleosomes. Science, 370, 2020
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6MJW
| human cGAS catalytic domain bound with the inhibitor G150 | Descriptor: | 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | Deposit date: | 2018-09-23 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.405 Å) | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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6LRI
| Human cGAS catalytic domain bound with compound 17 | Descriptor: | 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | Deposit date: | 2020-01-16 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing. J.Chem.Inf.Model., 60, 2020
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6LRE
| Human cGAS catalytic domain bound with compound 3 | Descriptor: | 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | Deposit date: | 2020-01-16 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing. J.Chem.Inf.Model., 60, 2020
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6LRK
| Human cGAS catalytic domain bound with compound 40 | Descriptor: | (3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | Deposit date: | 2020-01-16 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing. J.Chem.Inf.Model., 60, 2020
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